CID 165015

Ccris 8023

Structural Information

Molecular Formula

C₁₄H₁₂N₂O₄

SMILES

CC(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O4/c1-10(17)15-11-2-6-13(7-3-11)20-14-8-4-12(5-9-14)16(18)19/h2-9H,1H3,(H,15,17)

InChIKey

CINNPJKMBVNUMO-UHFFFAOYSA-N

Compound name

N-[4-(4-nitrophenoxy)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 272.0797 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	273.08698	158.4
[M+Na]+	295.06892	164.0
[M-H]-	271.07242	165.2
[M+NH4]+	290.11352	173.0
[M+K]+	311.04286	157.6
[M+H-H2O]+	255.07696	154.8
[M+HCOO]-	317.07790	184.3
[M+CH3COO]-	331.09355	193.8
[M+Na-2H]-	293.05437	165.3
[M]+	272.07915	157.6
[M]-	272.08025	157.6

Literature stripe

literature stripe

Patent stripe

patents stripe